SCHEMBL12102439

SCHEMBL12102439

CC(=O)c1cc2c(Nc3cc(C)[nH]n3)nc(C(F)(F)c3ccc(F)cc3)nn2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.42
JAK2 O60674 4/20 0.42
HDAC1 Q13547 1/20 0.40
AURKB Q96GD4 2/20 0.39
SYK P43405 3/20 0.39
NTRK1 P04629 4/20 0.38
PLK4 O00444 1/20 0.38
PAK4 O96013 1/20 0.38
DHODH Q02127 1/20 0.38
RET P07949 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3237355 0.93 AURKA (0.42) AURKAJAK2HDAC1AURKBSYK
SCHEMBL12102390 0.91 JAK2 (0.41) AURKAJAK2HDAC1AURKBSYK
SCHEMBL12102465 0.90 AURKA (0.38) AURKAJAK2HDAC1AURKBSYK
SCHEMBL12105337 0.88 DHODH (0.43) AURKAJAK2AURKBSYKNTRK1
SCHEMBL12102474 0.87 JAK2 (0.41) AURKAJAK2AURKBSYKNTRK1
SCHEMBL1298696 0.87 PAK4 (0.48) AURKAJAK2AURKBPAK4
SCHEMBL1298253 0.86 JAK2 (0.40) AURKAJAK2HDAC1AURKBNTRK1
SCHEMBL12102432 0.85 NTRK1 (0.43) AURKAJAK2HDAC1AURKBSYK
SCHEMBL12105335 0.85 JAK2 (0.40) AURKAJAK2AURKBSYKNTRK1
SCHEMBL13521309 0.85 DHODH (0.41) AURKAJAK2AURKBSYKNTRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 AURKA 601/4885JAK2 1/4885HDAC1 814/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.